5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile

C8H6ClF2N3 — CID 130071100

IUPAC5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CN)c(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,1,12H2
InChIKeyPBRBCAPUFXMGHQ-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.00
Rot. Bonds2

About 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile

5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130071100) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130071100
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CN)c(Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,1,12H2
InChIKeyPBRBCAPUFXMGHQ-UHFFFAOYSA-N
XLogP2.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130095901
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile (CID 130071100) is 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(CN)c(Cl)c1C(F)F.
What is the InChIKey of 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is PBRBCAPUFXMGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-7-4(1-12)3-14-5(2-13)6(7)8(10)11/h3,8H,1,12H2.
What are the key properties of 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 217.61 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130071100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).